REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1z7q_1_g DATA FIRST_RESID 1002 DATA SEQUENCE PPKRAALIQN LRDSYTETSS FAVIEEWAAG TLQEIEGIAK AAAEAHGVIR DATA SEQUENCE NSTYGRAQAE KSPEQLLGVL QRYQDLCHNV YCQAETIRTV IAIRIPEHKE DATA SEQUENCE EDNLGVAVQH AVLKIIDELE IKTLGSGEKS GSGGAPTPIG MYALREYLSA DATA SEQUENCE RSTVEDKLLG VDAESGKTKG GGSQSPSLLL ELRQIDADFM LKVELATTHL DATA SEQUENCE STMVRAVINA YLLNWKKLIQ PRTGSDHMVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1002 P HA 0.000 nan 4.420 nan 0.000 0.216 1002 P C 0.000 177.303 177.300 0.005 0.000 1.155 1002 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1002 P CB 0.000 31.703 31.700 0.005 0.000 0.726 1003 P HA 0.055 nan 4.420 nan 0.000 0.230 1003 P C 1.324 178.628 177.300 0.007 0.000 1.168 1003 P CA 0.654 63.757 63.100 0.006 0.000 0.793 1003 P CB 0.971 32.674 31.700 0.005 0.000 0.851 1004 K N 0.551 120.955 120.400 0.007 0.000 2.137 1004 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 1004 K C 2.288 178.893 176.600 0.008 0.000 1.052 1004 K CA 0.413 56.705 56.287 0.008 0.000 0.961 1004 K CB 0.058 32.563 32.500 0.007 0.000 0.741 1004 K HN -0.121 nan 8.250 nan 0.000 0.452 1005 R N 0.071 120.575 120.500 0.008 0.000 2.148 1005 R HA -0.038 4.302 4.340 -0.000 0.000 0.227 1005 R C 2.220 178.525 176.300 0.009 0.000 1.103 1005 R CA 1.140 57.245 56.100 0.008 0.000 0.983 1005 R CB -0.180 30.124 30.300 0.007 0.000 0.874 1005 R HN 0.194 nan 8.270 nan 0.000 0.451 1006 A N 1.088 123.913 122.820 0.008 0.000 1.929 1006 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 1006 A C 2.322 179.913 177.584 0.011 0.000 1.176 1006 A CA 1.347 53.389 52.037 0.009 0.000 0.628 1006 A CB -0.508 18.497 19.000 0.008 0.000 0.816 1006 A HN 0.359 nan 8.150 nan 0.000 0.444 1007 A N 0.201 123.027 122.820 0.011 0.000 1.845 1007 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 1007 A C 2.155 179.748 177.584 0.015 0.000 1.195 1007 A CA 1.548 53.593 52.037 0.013 0.000 0.616 1007 A CB -0.823 18.184 19.000 0.012 0.000 0.832 1007 A HN 0.460 nan 8.150 nan 0.000 0.443 1008 L N -0.496 120.736 121.223 0.014 0.000 1.997 1008 L HA -0.267 4.073 4.340 -0.000 0.000 0.216 1008 L C 2.557 179.438 176.870 0.018 0.000 1.074 1008 L CA 1.818 56.668 54.840 0.016 0.000 0.763 1008 L CB -0.629 41.437 42.059 0.013 0.000 0.890 1008 L HN 0.415 nan 8.230 nan 0.000 0.434 1009 I N -0.879 119.699 120.570 0.015 0.000 2.361 1009 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 1009 I C 2.631 178.761 176.117 0.021 0.000 1.133 1009 I CA 0.913 62.222 61.300 0.015 0.000 1.413 1009 I CB -0.195 37.812 38.000 0.012 0.000 1.073 1009 I HN 0.358 nan 8.210 nan 0.000 0.424 1010 Q N 1.555 121.368 119.800 0.021 0.000 2.016 1010 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 1010 Q C 1.917 177.937 176.000 0.032 0.000 0.978 1010 Q CA 1.787 57.605 55.803 0.024 0.000 0.833 1010 Q CB -0.205 28.544 28.738 0.020 0.000 0.895 1010 Q HN 0.397 nan 8.270 nan 0.000 0.427 1011 N N 0.142 118.861 118.700 0.032 0.000 2.149 1011 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 1011 N C 1.785 177.330 175.510 0.059 0.000 1.019 1011 N CA 1.100 54.174 53.050 0.040 0.000 0.857 1011 N CB -0.353 38.155 38.487 0.035 0.000 0.997 1011 N HN 0.281 nan 8.380 nan 0.000 0.426 1012 L N 1.008 122.264 121.223 0.054 0.000 1.989 1012 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 1012 L C 2.275 179.203 176.870 0.097 0.000 1.071 1012 L CA 1.375 56.255 54.840 0.066 0.000 0.749 1012 L CB -0.168 41.908 42.059 0.028 0.000 0.890 1012 L HN 0.141 nan 8.230 nan 0.000 0.431 1013 R N -0.530 120.013 120.500 0.071 0.000 2.280 1013 R HA -0.096 4.244 4.340 -0.000 0.000 0.207 1013 R C 1.323 177.678 176.300 0.091 0.000 1.043 1013 R CA 0.664 56.814 56.100 0.082 0.000 1.006 1013 R CB -0.118 30.214 30.300 0.054 0.000 0.885 1013 R HN 0.434 nan 8.270 nan 0.000 0.467 1014 D N -0.442 120.005 120.400 0.078 0.000 2.305 1014 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 1014 D C 1.440 177.774 176.300 0.056 0.000 0.974 1014 D CA 0.782 54.816 54.000 0.057 0.000 0.871 1014 D CB 0.308 41.131 40.800 0.038 0.000 0.947 1014 D HN 0.015 nan 8.370 nan 0.000 0.516 1015 S N -0.169 115.594 115.700 0.105 0.000 2.406 1015 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 1015 S C 0.249 174.835 174.600 -0.024 0.000 1.020 1015 S CA 0.589 58.837 58.200 0.080 0.000 0.965 1015 S CB 0.080 63.415 63.200 0.225 0.000 0.798 1015 S HN 0.240 nan 8.310 nan 0.000 0.488 1016 Y N 2.236 122.540 120.300 0.007 0.000 2.787 1016 Y HA 0.322 4.872 4.550 -0.000 0.000 0.352 1016 Y C 0.756 176.665 175.900 0.016 0.000 1.027 1016 Y CA -1.308 56.795 58.100 0.006 0.000 1.219 1016 Y CB -0.006 38.457 38.460 0.005 0.000 1.110 1016 Y HN 0.071 nan 8.280 nan 0.000 0.614 1017 T N -3.238 111.373 114.554 0.095 0.000 2.771 1017 T HA 0.095 4.445 4.350 -0.000 0.000 0.290 1017 T C 1.267 176.024 174.700 0.094 0.000 1.005 1017 T CA -0.480 61.671 62.100 0.084 0.000 0.944 1017 T CB 1.110 70.006 68.868 0.046 0.000 1.147 1017 T HN 0.472 nan 8.240 nan 0.000 0.534 1018 E N 0.003 120.261 120.200 0.098 0.000 2.204 1018 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1018 E C 1.983 178.642 176.600 0.098 0.000 0.989 1018 E CA 1.202 57.677 56.400 0.126 0.000 0.824 1018 E CB -0.709 29.070 29.700 0.131 0.000 0.756 1018 E HN 0.780 nan 8.360 nan 0.000 0.477 1019 T N 0.377 114.967 114.554 0.060 0.000 2.788 1019 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 1019 T C 2.016 176.730 174.700 0.023 0.000 1.044 1019 T CA 1.383 63.521 62.100 0.062 0.000 1.139 1019 T CB -0.127 68.758 68.868 0.028 0.000 0.867 1019 T HN 0.108 nan 8.240 nan 0.000 0.454 1020 S N 1.869 117.563 115.700 -0.009 0.000 2.356 1020 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 1020 S C 2.535 177.078 174.600 -0.095 0.000 1.032 1020 S CA 1.512 59.672 58.200 -0.066 0.000 1.005 1020 S CB -0.442 62.713 63.200 -0.075 0.000 0.867 1020 S HN 0.763 nan 8.310 nan 0.000 0.449 1021 S N 1.187 116.854 115.700 -0.054 0.000 2.414 1021 S HA 0.012 4.482 4.470 -0.000 0.000 0.227 1021 S C 1.632 176.047 174.600 -0.308 0.000 1.022 1021 S CA 0.470 58.566 58.200 -0.174 0.000 0.958 1021 S CB -0.649 62.510 63.200 -0.068 0.000 0.797 1021 S HN 0.418 nan 8.310 nan 0.000 0.493 1022 F N 3.278 123.051 119.950 -0.295 0.000 2.234 1022 F HA 0.239 4.766 4.527 -0.000 0.000 0.299 1022 F C 2.410 178.020 175.800 -0.317 0.000 1.087 1022 F CA 0.223 58.028 58.000 -0.325 0.000 1.340 1022 F CB -1.003 37.876 39.000 -0.202 0.000 1.031 1022 F HN 0.284 nan 8.300 nan 0.000 0.500 1023 A N -0.096 122.480 122.820 -0.406 0.000 1.933 1023 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 1023 A C 2.323 179.615 177.584 -0.486 0.000 1.175 1023 A CA 1.938 53.700 52.037 -0.459 0.000 0.628 1023 A CB -1.365 17.477 19.000 -0.263 0.000 0.814 1023 A HN 0.236 nan 8.150 nan 0.000 0.444 1024 V N 0.581 120.192 119.914 -0.505 0.000 2.407 1024 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 1024 V C 2.375 177.886 176.094 -0.972 0.000 1.055 1024 V CA 1.650 63.541 62.300 -0.680 0.000 1.049 1024 V CB -0.698 30.681 31.823 -0.739 0.000 0.662 1024 V HN 0.515 nan 8.190 nan 0.000 0.455 1025 I N 0.050 120.116 120.570 -0.841 0.000 2.353 1025 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 1025 I C 2.505 178.378 176.117 -0.407 0.000 1.119 1025 I CA 1.408 62.316 61.300 -0.653 0.000 1.417 1025 I CB -1.152 36.552 38.000 -0.493 0.000 1.078 1025 I HN 0.452 nan 8.210 nan 0.000 0.421 1026 E N 0.516 120.395 120.200 -0.535 0.000 2.077 1026 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 1026 E C 2.021 178.500 176.600 -0.201 0.000 0.989 1026 E CA 1.232 57.396 56.400 -0.393 0.000 0.800 1026 E CB -0.027 29.346 29.700 -0.544 0.000 0.746 1026 E HN 0.334 nan 8.360 nan 0.000 0.452 1027 E N 0.474 120.553 120.200 -0.202 0.000 2.058 1027 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 1027 E C 1.520 178.206 176.600 0.143 0.000 0.997 1027 E CA 1.336 57.712 56.400 -0.040 0.000 0.801 1027 E CB -0.274 29.407 29.700 -0.031 0.000 0.746 1027 E HN 0.289 nan 8.360 nan 0.000 0.450 1028 W N 0.563 121.789 121.300 -0.124 0.000 2.425 1028 W HA 0.142 4.802 4.660 -0.000 0.000 0.277 1028 W C 2.370 178.844 176.519 -0.075 0.000 1.231 1028 W CA 0.917 58.207 57.345 -0.092 0.000 1.248 1028 W CB -1.246 28.159 29.460 -0.091 0.000 1.117 1028 W HN 0.253 nan 8.180 nan 0.000 0.568 1029 A N 0.023 122.924 122.820 0.135 0.000 1.902 1029 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 1029 A C 2.108 179.715 177.584 0.038 0.000 1.181 1029 A CA 2.779 54.855 52.037 0.064 0.000 0.623 1029 A CB -0.828 18.178 19.000 0.010 0.000 0.818 1029 A HN 0.123 nan 8.150 nan 0.000 0.443 1030 A N -1.529 121.304 122.820 0.021 0.000 2.283 1030 A HA 0.486 4.806 4.320 -0.000 0.000 0.225 1030 A C 2.330 179.920 177.584 0.011 0.000 2.109 1030 A CA 1.096 53.137 52.037 0.007 0.000 0.889 1030 A CB -1.352 17.641 19.000 -0.012 0.000 1.437 1030 A HN 0.739 nan 8.150 nan 0.000 0.595 1031 G N -0.283 108.522 108.800 0.007 0.000 2.672 1031 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 1031 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 1031 G C 1.496 176.399 174.900 0.006 0.000 1.238 1031 G CA 2.186 47.289 45.100 0.005 0.000 0.791 1031 G HN 0.457 nan 8.290 nan 0.000 0.606 1032 T N 1.074 115.644 114.554 0.026 0.000 2.803 1032 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 1032 T C 2.359 177.023 174.700 -0.059 0.000 1.052 1032 T CA 0.971 63.057 62.100 -0.023 0.000 1.136 1032 T CB -0.137 68.706 68.868 -0.041 0.000 0.864 1032 T HN 0.130 nan 8.240 nan 0.000 0.467 1033 L N 0.320 121.526 121.223 -0.028 0.000 2.072 1033 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 1033 L C 2.826 179.680 176.870 -0.027 0.000 1.079 1033 L CA 1.239 56.057 54.840 -0.037 0.000 0.752 1033 L CB -0.379 41.674 42.059 -0.010 0.000 0.906 1033 L HN 0.306 nan 8.230 nan 0.000 0.436 1034 Q N -0.585 119.206 119.800 -0.015 0.000 2.167 1034 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 1034 Q C 1.945 177.937 176.000 -0.013 0.000 0.970 1034 Q CA 1.422 57.218 55.803 -0.011 0.000 0.855 1034 Q CB -0.007 28.727 28.738 -0.007 0.000 0.911 1034 Q HN 0.286 nan 8.270 nan 0.000 0.438 1035 E N 1.289 121.478 120.200 -0.019 0.000 2.077 1035 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 1035 E C 1.629 178.220 176.600 -0.014 0.000 0.989 1035 E CA 1.183 57.572 56.400 -0.018 0.000 0.800 1035 E CB -0.181 29.503 29.700 -0.028 0.000 0.746 1035 E HN 0.363 nan 8.360 nan 0.000 0.452 1036 I N 0.554 121.108 120.570 -0.027 0.000 2.252 1036 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 1036 I C 2.530 178.645 176.117 -0.004 0.000 1.102 1036 I CA 1.604 62.895 61.300 -0.015 0.000 1.385 1036 I CB -0.387 37.587 38.000 -0.044 0.000 1.064 1036 I HN 0.265 nan 8.210 nan 0.000 0.414 1037 E N 1.290 121.483 120.200 -0.011 0.000 2.265 1037 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 1037 E C 2.179 178.778 176.600 -0.003 0.000 0.996 1037 E CA 1.222 57.617 56.400 -0.008 0.000 0.832 1037 E CB -0.095 29.599 29.700 -0.009 0.000 0.756 1037 E HN 0.485 nan 8.360 nan 0.000 0.491 1038 G N 1.110 109.910 108.800 -0.001 0.000 2.394 1038 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 1038 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 1038 G C 1.554 176.458 174.900 0.008 0.000 1.176 1038 G CA 0.569 45.670 45.100 0.002 0.000 0.786 1038 G HN 0.263 nan 8.290 nan 0.000 0.533 1039 I N 1.588 122.168 120.570 0.017 0.000 2.567 1039 I HA -0.136 4.034 4.170 -0.000 0.000 0.257 1039 I C 3.142 179.264 176.117 0.010 0.000 1.184 1039 I CA 0.561 61.879 61.300 0.030 0.000 1.451 1039 I CB -0.087 37.959 38.000 0.077 0.000 1.089 1039 I HN 0.250 nan 8.210 nan 0.000 0.441 1040 A N 2.228 125.050 122.820 0.003 0.000 1.845 1040 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 1040 A C 2.333 179.906 177.584 -0.019 0.000 1.195 1040 A CA 1.967 53.995 52.037 -0.014 0.000 0.616 1040 A CB -0.468 18.525 19.000 -0.012 0.000 0.832 1040 A HN 0.516 nan 8.150 nan 0.000 0.443 1041 K N -0.606 119.789 120.400 -0.010 0.000 2.365 1041 K HA 0.329 4.649 4.320 -0.000 0.000 0.197 1041 K C 1.869 178.469 176.600 -0.000 0.000 1.042 1041 K CA 0.941 57.224 56.287 -0.007 0.000 0.987 1041 K CB -0.266 32.232 32.500 -0.003 0.000 0.779 1041 K HN 0.256 nan 8.250 nan 0.000 0.484 1042 A N 1.907 124.728 122.820 0.001 0.000 1.933 1042 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 1042 A C 2.336 179.924 177.584 0.006 0.000 1.175 1042 A CA 1.682 53.723 52.037 0.006 0.000 0.628 1042 A CB -0.507 18.499 19.000 0.009 0.000 0.814 1042 A HN 0.471 nan 8.150 nan 0.000 0.444 1043 A N -1.227 121.590 122.820 -0.005 0.000 2.238 1043 A HA 0.570 4.890 4.320 -0.000 0.000 0.210 1043 A C 2.125 179.719 177.584 0.018 0.000 1.179 1043 A CA 1.096 53.131 52.037 -0.004 0.000 0.827 1043 A CB -0.441 18.533 19.000 -0.043 0.000 0.856 1043 A HN 0.780 nan 8.150 nan 0.000 0.488 1044 A N 1.237 124.059 122.820 0.005 0.000 1.898 1044 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 1044 A C 1.922 179.536 177.584 0.050 0.000 1.183 1044 A CA 1.410 53.450 52.037 0.004 0.000 0.622 1044 A CB -0.432 18.558 19.000 -0.016 0.000 0.824 1044 A HN 0.682 nan 8.150 nan 0.000 0.444 1045 E N -0.217 120.007 120.200 0.040 0.000 2.216 1045 E HA 0.138 4.488 4.350 -0.000 0.000 0.192 1045 E C 1.823 178.457 176.600 0.057 0.000 0.988 1045 E CA 0.752 57.179 56.400 0.045 0.000 0.834 1045 E CB -0.306 29.410 29.700 0.027 0.000 0.772 1045 E HN 0.430 nan 8.360 nan 0.000 0.479 1046 A N 1.714 124.568 122.820 0.057 0.000 2.067 1046 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 1046 A C 2.086 179.716 177.584 0.075 0.000 1.158 1046 A CA 1.377 53.445 52.037 0.052 0.000 0.661 1046 A CB -0.796 18.225 19.000 0.036 0.000 0.801 1046 A HN 0.424 nan 8.150 nan 0.000 0.452 1047 H N -0.435 118.636 119.070 0.002 0.000 2.482 1047 H HA 0.023 4.579 4.556 -0.000 0.000 0.286 1047 H C 2.093 177.429 175.328 0.013 0.000 1.017 1047 H CA 1.349 57.400 56.048 0.005 0.000 1.322 1047 H CB -0.188 29.569 29.762 -0.009 0.000 1.426 1047 H HN 0.396 nan 8.280 nan 0.000 0.546 1048 G N 0.465 109.355 108.800 0.151 0.000 2.421 1048 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 1048 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 1048 G C 1.828 176.747 174.900 0.032 0.000 1.143 1048 G CA 0.771 45.930 45.100 0.098 0.000 0.784 1048 G HN 0.304 nan 8.290 nan 0.000 0.541 1049 V N 1.520 121.451 119.914 0.027 0.000 2.261 1049 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 1049 V C 2.757 178.863 176.094 0.020 0.000 1.047 1049 V CA 1.561 63.874 62.300 0.022 0.000 1.015 1049 V CB -0.448 31.390 31.823 0.026 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.061 120.511 120.570 0.003 0.000 2.567 1050 I HA -0.241 3.929 4.170 -0.000 0.000 0.257 1050 I C 2.655 178.762 176.117 -0.017 0.000 1.184 1050 I CA 1.513 62.831 61.300 0.030 0.000 1.451 1050 I CB -0.471 37.515 38.000 -0.024 0.000 1.089 1050 I HN 0.271 nan 8.210 nan 0.000 0.441 1051 R N 1.448 121.901 120.500 -0.079 0.000 2.148 1051 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 1051 R C 0.739 177.038 176.300 -0.002 0.000 1.088 1051 R CA 1.044 57.105 56.100 -0.064 0.000 0.985 1051 R CB 0.083 30.351 30.300 -0.054 0.000 0.880 1051 R HN 0.351 nan 8.270 nan 0.000 0.451 1052 N N 0.575 119.285 118.700 0.016 0.000 2.380 1052 N HA 0.115 4.855 4.740 -0.000 0.000 0.255 1052 N C -1.122 174.411 175.510 0.039 0.000 1.158 1052 N CA 0.055 53.120 53.050 0.025 0.000 0.878 1052 N CB 1.451 39.950 38.487 0.021 0.000 1.138 1052 N HN -0.006 nan 8.380 nan 0.000 0.509 1053 S N -0.519 115.223 115.700 0.070 0.000 2.599 1053 S HA 0.527 4.997 4.470 -0.000 0.000 0.294 1053 S C -0.132 174.557 174.600 0.148 0.000 1.094 1053 S CA -0.535 57.721 58.200 0.093 0.000 0.931 1053 S CB 2.408 65.677 63.200 0.115 0.000 1.093 1053 S HN -0.007 nan 8.310 nan 0.000 0.488 1054 T N 2.558 117.178 114.554 0.109 0.000 2.770 1054 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 1054 T C -1.291 173.497 174.700 0.147 0.000 0.988 1054 T CA -0.232 61.947 62.100 0.132 0.000 0.957 1054 T CB 0.177 69.081 68.868 0.060 0.000 0.930 1054 T HN 0.389 nan 8.240 nan 0.000 0.443 1055 Y N 1.757 122.052 120.300 -0.008 0.000 2.316 1055 Y HA 0.598 5.148 4.550 -0.000 0.000 0.331 1055 Y C 0.941 176.837 175.900 -0.007 0.000 1.083 1055 Y CA -0.160 57.935 58.100 -0.007 0.000 1.206 1055 Y CB 1.236 39.691 38.460 -0.007 0.000 1.195 1055 Y HN 0.840 nan 8.280 nan 0.000 0.497 1056 G N 2.046 110.875 108.800 0.049 0.000 3.015 1056 G HA2 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G HA3 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G C 0.298 175.211 174.900 0.021 0.000 1.386 1056 G CA -0.918 44.200 45.100 0.031 0.000 0.959 1056 G HN 0.601 nan 8.290 nan 0.000 0.522 1057 R N -0.701 119.807 120.500 0.013 0.000 2.159 1057 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 1057 R C 2.498 178.792 176.300 -0.010 0.000 1.131 1057 R CA 1.888 57.992 56.100 0.008 0.000 0.982 1057 R CB -0.396 29.906 30.300 0.003 0.000 0.868 1057 R HN 0.501 nan 8.270 nan 0.000 0.453 1058 A N 0.588 123.391 122.820 -0.029 0.000 1.940 1058 A HA -0.202 4.117 4.320 -0.000 0.000 0.219 1058 A C 1.882 179.427 177.584 -0.064 0.000 1.176 1058 A CA 1.401 53.410 52.037 -0.046 0.000 0.631 1058 A CB -0.266 18.700 19.000 -0.057 0.000 0.814 1058 A HN 0.403 nan 8.150 nan 0.000 0.446 1059 Q N -0.755 118.987 119.800 -0.096 0.000 2.472 1059 Q HA 0.312 4.652 4.340 -0.000 0.000 0.208 1059 Q C 1.710 177.694 176.000 -0.027 0.000 0.958 1059 Q CA 0.859 56.584 55.803 -0.129 0.000 0.932 1059 Q CB -0.229 28.289 28.738 -0.366 0.000 1.007 1059 Q HN 0.649 nan 8.270 nan 0.000 0.508 1060 A N 0.235 123.055 122.820 0.000 0.000 2.238 1060 A HA 0.030 4.350 4.320 -0.000 0.000 0.210 1060 A C 0.973 178.551 177.584 -0.009 0.000 1.179 1060 A CA 0.167 52.211 52.037 0.013 0.000 0.827 1060 A CB 0.237 19.250 19.000 0.022 0.000 0.856 1060 A HN 0.219 nan 8.150 nan 0.000 0.488 1061 E N -0.143 120.046 120.200 -0.018 0.000 2.437 1061 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 1061 E C -0.220 176.366 176.600 -0.023 0.000 1.029 1061 E CA -0.030 56.358 56.400 -0.020 0.000 0.948 1061 E CB 0.206 29.894 29.700 -0.020 0.000 1.082 1061 E HN 0.410 nan 8.360 nan 0.000 0.456 1062 K N 0.241 120.627 120.400 -0.024 0.000 2.622 1062 K HA 0.206 4.525 4.320 -0.000 0.000 0.273 1062 K C -1.608 174.983 176.600 -0.016 0.000 0.957 1062 K CA -0.406 55.869 56.287 -0.021 0.000 0.861 1062 K CB 1.792 34.277 32.500 -0.023 0.000 1.405 1062 K HN -0.137 nan 8.250 nan 0.000 0.406 1063 S N 3.899 119.594 115.700 -0.009 0.000 2.438 1063 S HA 0.337 4.807 4.470 -0.000 0.000 0.293 1063 S C -2.458 172.164 174.600 0.036 0.000 1.141 1063 S CA -1.129 57.076 58.200 0.008 0.000 1.080 1063 S CB 1.095 64.292 63.200 -0.006 0.000 0.978 1063 S HN 0.401 nan 8.310 nan 0.000 0.479 1064 P HA 0.014 nan 4.420 nan 0.000 0.254 1064 P C 0.139 177.480 177.300 0.068 0.000 1.186 1064 P CA 0.250 63.387 63.100 0.061 0.000 0.868 1064 P CB 0.330 32.084 31.700 0.091 0.000 0.856 1065 E N 2.145 122.370 120.200 0.042 0.000 2.204 1065 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 1065 E C 1.911 178.533 176.600 0.038 0.000 0.990 1065 E CA 0.906 57.330 56.400 0.040 0.000 0.821 1065 E CB 0.018 29.733 29.700 0.024 0.000 0.750 1065 E HN 0.608 nan 8.360 nan 0.000 0.477 1066 Q N 0.836 120.655 119.800 0.032 0.000 2.079 1066 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 1066 Q C 2.149 178.164 176.000 0.025 0.000 0.974 1066 Q CA 0.997 56.816 55.803 0.026 0.000 0.840 1066 Q CB 0.061 28.811 28.738 0.021 0.000 0.898 1066 Q HN 0.311 nan 8.270 nan 0.000 0.430 1067 L N 0.335 121.577 121.223 0.031 0.000 2.056 1067 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 1067 L C 2.390 179.256 176.870 -0.006 0.000 1.078 1067 L CA 0.770 55.607 54.840 -0.004 0.000 0.749 1067 L CB -0.496 41.555 42.059 -0.013 0.000 0.901 1067 L HN 0.316 nan 8.230 nan 0.000 0.433 1068 L N -0.079 121.177 121.223 0.054 0.000 2.265 1068 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 1068 L C 2.566 179.465 176.870 0.049 0.000 1.117 1068 L CA 0.978 55.862 54.840 0.074 0.000 0.782 1068 L CB -0.992 41.123 42.059 0.095 0.000 0.914 1068 L HN 0.303 nan 8.230 nan 0.000 0.441 1069 G N -0.605 108.216 108.800 0.036 0.000 2.430 1069 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 1069 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 1069 G C 1.548 176.468 174.900 0.032 0.000 1.146 1069 G CA 0.546 45.665 45.100 0.032 0.000 0.793 1069 G HN 0.161 nan 8.290 nan 0.000 0.537 1070 V N 0.888 120.815 119.914 0.021 0.000 2.300 1070 V HA 0.014 4.134 4.120 -0.000 0.000 0.241 1070 V C 2.808 178.932 176.094 0.050 0.000 1.034 1070 V CA 0.995 63.309 62.300 0.023 0.000 1.021 1070 V CB -0.498 31.319 31.823 -0.010 0.000 0.662 1070 V HN 0.291 nan 8.190 nan 0.000 0.458 1071 L N 0.105 121.341 121.223 0.022 0.000 2.189 1071 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 1071 L C 2.548 179.499 176.870 0.135 0.000 1.097 1071 L CA 1.580 56.463 54.840 0.072 0.000 0.764 1071 L CB -0.469 41.604 42.059 0.023 0.000 0.900 1071 L HN 0.425 nan 8.230 nan 0.000 0.436 1072 Q N 0.521 120.376 119.800 0.092 0.000 2.089 1072 Q HA -0.159 4.181 4.340 -0.000 0.000 0.195 1072 Q C 2.259 178.302 176.000 0.072 0.000 0.963 1072 Q CA 1.315 57.164 55.803 0.077 0.000 0.834 1072 Q CB -0.140 28.632 28.738 0.058 0.000 0.906 1072 Q HN 0.223 nan 8.270 nan 0.000 0.452 1073 R N -1.092 119.452 120.500 0.073 0.000 2.159 1073 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 1073 R C 1.916 178.266 176.300 0.085 0.000 1.131 1073 R CA 1.433 57.569 56.100 0.061 0.000 0.982 1073 R CB -0.311 30.021 30.300 0.054 0.000 0.868 1073 R HN 0.425 nan 8.270 nan 0.000 0.453 1074 Y N 0.853 121.143 120.300 -0.016 0.000 2.176 1074 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 1074 Y C 2.380 178.264 175.900 -0.028 0.000 1.122 1074 Y CA 1.795 59.881 58.100 -0.024 0.000 1.128 1074 Y CB -0.460 37.987 38.460 -0.022 0.000 1.005 1074 Y HN 0.068 nan 8.280 nan 0.000 0.509 1075 Q N 0.187 119.967 119.800 -0.034 0.000 2.197 1075 Q HA -0.246 4.094 4.340 -0.000 0.000 0.207 1075 Q C 1.493 177.409 176.000 -0.140 0.000 0.984 1075 Q CA 2.091 57.801 55.803 -0.156 0.000 0.869 1075 Q CB -0.200 28.509 28.738 -0.048 0.000 0.906 1075 Q HN 0.577 nan 8.270 nan 0.000 0.426 1076 D N 0.436 120.797 120.400 -0.064 0.000 2.097 1076 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 1076 D C 1.998 178.253 176.300 -0.076 0.000 0.984 1076 D CA 0.992 54.976 54.000 -0.028 0.000 0.826 1076 D CB -0.170 40.621 40.800 -0.014 0.000 0.973 1076 D HN 0.315 nan 8.370 nan 0.000 0.460 1077 L N 0.636 121.781 121.223 -0.129 0.000 2.046 1077 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 1077 L C 2.434 179.191 176.870 -0.188 0.000 1.077 1077 L CA 1.397 56.144 54.840 -0.154 0.000 0.747 1077 L CB -0.195 41.773 42.059 -0.150 0.000 0.896 1077 L HN 0.027 nan 8.230 nan 0.000 0.432 1078 C N -0.440 118.681 119.300 -0.298 0.000 2.413 1078 C HA -0.240 4.220 4.460 -0.000 0.000 0.276 1078 C C 2.617 177.573 174.990 -0.056 0.000 1.236 1078 C CA 1.264 60.129 59.018 -0.255 0.000 1.735 1078 C CB -1.492 26.007 27.740 -0.401 0.000 2.031 1078 C HN 0.723 nan 8.230 nan 0.000 0.474 1079 H N 1.347 120.314 119.070 -0.171 0.000 2.265 1079 H HA -0.186 4.370 4.556 -0.000 0.000 0.293 1079 H C 2.067 177.398 175.328 0.005 0.000 1.089 1079 H CA 2.033 58.026 56.048 -0.092 0.000 1.244 1079 H CB -0.168 29.535 29.762 -0.098 0.000 1.355 1079 H HN 0.467 nan 8.280 nan 0.000 0.485 1080 N N 0.552 119.217 118.700 -0.059 0.000 2.025 1080 N HA -0.162 4.578 4.740 -0.000 0.000 0.194 1080 N C 2.225 177.771 175.510 0.060 0.000 1.044 1080 N CA 1.392 54.386 53.050 -0.093 0.000 0.851 1080 N CB -0.780 37.636 38.487 -0.118 0.000 1.036 1080 N HN 0.214 nan 8.380 nan 0.000 0.422 1081 V N 1.285 121.209 119.914 0.018 0.000 2.231 1081 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 1081 V C 2.146 178.328 176.094 0.147 0.000 1.058 1081 V CA 1.837 64.142 62.300 0.010 0.000 1.022 1081 V CB -0.839 30.857 31.823 -0.211 0.000 0.640 1081 V HN 0.305 nan 8.190 nan 0.000 0.445 1082 Y N -0.182 120.139 120.300 0.036 0.000 2.241 1082 Y HA -0.331 4.219 4.550 -0.000 0.000 0.286 1082 Y C 2.425 178.397 175.900 0.120 0.000 1.166 1082 Y CA 2.075 60.219 58.100 0.074 0.000 1.203 1082 Y CB -0.324 38.167 38.460 0.051 0.000 0.977 1082 Y HN 0.315 nan 8.280 nan 0.000 0.529 1083 C N -0.194 119.279 119.300 0.288 0.000 2.492 1083 C HA -0.086 4.374 4.460 -0.000 0.000 0.279 1083 C C 2.445 177.509 174.990 0.122 0.000 1.335 1083 C CA 0.857 60.002 59.018 0.211 0.000 1.734 1083 C CB -0.849 27.030 27.740 0.232 0.000 2.027 1083 C HN 0.591 nan 8.230 nan 0.000 0.496 1084 Q N 1.053 120.954 119.800 0.169 0.000 2.230 1084 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 1084 Q C 2.373 178.458 176.000 0.143 0.000 0.963 1084 Q CA 1.447 57.351 55.803 0.169 0.000 0.866 1084 Q CB -0.209 28.738 28.738 0.349 0.000 0.931 1084 Q HN 0.735 nan 8.270 nan 0.000 0.452 1085 A N 1.434 124.376 122.820 0.203 0.000 1.854 1085 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 1085 A C 1.915 179.489 177.584 -0.018 0.000 1.192 1085 A CA 0.939 53.058 52.037 0.137 0.000 0.611 1085 A CB -0.259 18.800 19.000 0.098 0.000 0.832 1085 A HN 0.118 nan 8.150 nan 0.000 0.442 1086 E N -0.013 120.122 120.200 -0.108 0.000 2.284 1086 E HA -0.153 4.196 4.350 -0.000 0.000 0.200 1086 E C 1.963 178.558 176.600 -0.009 0.000 1.008 1086 E CA 1.590 57.929 56.400 -0.103 0.000 0.829 1086 E CB -0.642 28.988 29.700 -0.117 0.000 0.744 1086 E HN 0.626 nan 8.360 nan 0.000 0.491 1087 T N 0.963 115.537 114.554 0.033 0.000 2.732 1087 T HA -0.007 4.343 4.350 -0.000 0.000 0.261 1087 T C 2.097 176.836 174.700 0.064 0.000 1.040 1087 T CA 0.629 62.791 62.100 0.105 0.000 1.145 1087 T CB -0.103 68.797 68.868 0.053 0.000 0.866 1087 T HN 0.132 nan 8.240 nan 0.000 0.427 1088 I N 0.725 121.281 120.570 -0.024 0.000 2.286 1088 I HA -0.180 3.989 4.170 -0.000 0.000 0.248 1088 I C 2.860 178.987 176.117 0.017 0.000 1.115 1088 I CA 1.230 62.510 61.300 -0.034 0.000 1.392 1088 I CB -0.318 37.611 38.000 -0.117 0.000 1.065 1088 I HN 0.133 nan 8.210 nan 0.000 0.418 1089 R N 0.145 120.643 120.500 -0.004 0.000 2.075 1089 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 1089 R C 2.269 178.542 176.300 -0.045 0.000 1.126 1089 R CA 1.819 57.910 56.100 -0.015 0.000 0.963 1089 R CB -0.676 29.604 30.300 -0.034 0.000 0.858 1089 R HN 0.348 nan 8.270 nan 0.000 0.435 1090 T N 0.938 115.443 114.554 -0.082 0.000 2.833 1090 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 1090 T C 1.975 176.583 174.700 -0.154 0.000 1.054 1090 T CA 0.995 62.968 62.100 -0.212 0.000 1.135 1090 T CB -0.081 68.503 68.868 -0.473 0.000 0.869 1090 T HN 0.000 nan 8.240 nan 0.000 0.466 1091 V N 1.036 120.947 119.914 -0.004 0.000 2.427 1091 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 1091 V C 2.238 178.358 176.094 0.043 0.000 1.051 1091 V CA 1.369 63.714 62.300 0.075 0.000 1.048 1091 V CB -0.483 31.421 31.823 0.134 0.000 0.666 1091 V HN 0.498 nan 8.190 nan 0.000 0.456 1092 I N 0.108 120.692 120.570 0.024 0.000 2.270 1092 I HA -0.048 4.122 4.170 -0.000 0.000 0.239 1092 I C 2.726 178.822 176.117 -0.035 0.000 1.080 1092 I CA 1.061 62.364 61.300 0.005 0.000 1.383 1092 I CB -0.745 37.259 38.000 0.006 0.000 1.097 1092 I HN 0.221 nan 8.210 nan 0.000 0.420 1093 A N 1.939 124.729 122.820 -0.050 0.000 1.971 1093 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 1093 A C 2.210 179.762 177.584 -0.053 0.000 1.182 1093 A CA 2.373 54.374 52.037 -0.060 0.000 0.649 1093 A CB -1.250 17.714 19.000 -0.061 0.000 0.818 1093 A HN 0.671 nan 8.150 nan 0.000 0.458 1094 I N -4.773 115.763 120.570 -0.056 0.000 3.444 1094 I HA 0.089 4.259 4.170 -0.000 0.000 0.287 1094 I C 1.380 177.485 176.117 -0.019 0.000 1.302 1094 I CA 0.680 61.955 61.300 -0.041 0.000 1.368 1094 I CB -0.068 37.901 38.000 -0.053 0.000 1.048 1094 I HN 0.090 nan 8.210 nan 0.000 0.487 1095 R N 1.182 121.671 120.500 -0.020 0.000 2.613 1095 R HA 0.477 4.817 4.340 -0.000 0.000 0.361 1095 R C -0.162 176.123 176.300 -0.026 0.000 1.072 1095 R CA -0.274 55.819 56.100 -0.012 0.000 1.089 1095 R CB 0.582 30.883 30.300 0.001 0.000 1.343 1095 R HN 0.324 nan 8.270 nan 0.000 0.571 1096 I N 4.162 124.712 120.570 -0.033 0.000 2.337 1096 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 1096 I C -1.399 174.717 176.117 -0.001 0.000 1.046 1096 I CA -1.816 59.461 61.300 -0.037 0.000 1.324 1096 I CB 0.797 38.767 38.000 -0.051 0.000 1.409 1096 I HN -0.087 nan 8.210 nan 0.000 0.494 1097 P HA -0.008 nan 4.420 nan 0.000 0.274 1097 P C -0.224 177.100 177.300 0.040 0.000 1.264 1097 P CA -0.425 62.684 63.100 0.015 0.000 0.795 1097 P CB 0.544 32.246 31.700 0.003 0.000 1.064 1098 E N -0.060 120.160 120.200 0.032 0.000 2.529 1098 E HA -0.146 4.204 4.350 -0.000 0.000 0.259 1098 E C -0.127 176.516 176.600 0.072 0.000 0.966 1098 E CA -0.016 56.414 56.400 0.049 0.000 0.937 1098 E CB -0.030 29.684 29.700 0.024 0.000 0.923 1098 E HN 0.378 nan 8.360 nan 0.000 0.468 1099 H N 4.598 123.677 119.070 0.015 0.000 3.082 1099 H HA 0.120 4.676 4.556 -0.000 0.000 0.275 1099 H C -0.704 174.631 175.328 0.012 0.000 1.032 1099 H CA 0.654 56.714 56.048 0.020 0.000 1.477 1099 H CB 0.200 29.974 29.762 0.020 0.000 1.520 1099 H HN 0.348 nan 8.280 nan 0.000 0.521 1100 K N 3.134 123.298 120.400 -0.393 0.000 2.349 1100 K HA 0.239 4.559 4.320 -0.000 0.000 0.243 1100 K C 0.169 176.547 176.600 -0.372 0.000 1.058 1100 K CA -0.958 55.147 56.287 -0.303 0.000 0.871 1100 K CB 1.426 33.843 32.500 -0.139 0.000 1.337 1100 K HN 0.541 nan 8.250 nan 0.000 0.469 1101 E N 1.421 121.498 120.200 -0.206 0.000 2.548 1101 E HA 0.053 4.403 4.350 -0.000 0.000 0.206 1101 E C -0.731 175.816 176.600 -0.089 0.000 1.005 1101 E CA 0.235 56.549 56.400 -0.144 0.000 0.951 1101 E CB 0.750 30.395 29.700 -0.092 0.000 1.035 1101 E HN 0.579 nan 8.360 nan 0.000 0.470 1102 E N -0.572 119.576 120.200 -0.086 0.000 2.433 1102 E HA 0.313 4.663 4.350 -0.000 0.000 0.278 1102 E C -0.690 175.878 176.600 -0.053 0.000 0.976 1102 E CA -0.813 55.553 56.400 -0.057 0.000 0.793 1102 E CB 1.026 30.698 29.700 -0.048 0.000 1.311 1102 E HN -0.250 nan 8.360 nan 0.000 0.460 1103 D N 0.461 120.837 120.400 -0.040 0.000 2.723 1103 D HA -0.145 4.495 4.640 -0.000 0.000 0.236 1103 D C -0.702 175.579 176.300 -0.030 0.000 1.138 1103 D CA 0.569 54.548 54.000 -0.035 0.000 0.676 1103 D CB -1.318 39.459 40.800 -0.038 0.000 1.069 1103 D HN 0.567 nan 8.370 nan 0.000 0.430 1104 N N 0.276 118.962 118.700 -0.024 0.000 2.321 1104 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 1104 N C 1.785 177.296 175.510 0.001 0.000 1.141 1104 N CA -0.277 52.769 53.050 -0.007 0.000 0.864 1104 N CB 0.215 38.701 38.487 -0.002 0.000 1.100 1104 N HN 0.415 nan 8.380 nan 0.000 0.510 1105 L N -0.327 120.889 121.223 -0.012 0.000 2.093 1105 L HA -0.032 4.307 4.340 -0.000 0.000 0.208 1105 L C 2.345 179.206 176.870 -0.015 0.000 1.085 1105 L CA 1.352 56.184 54.840 -0.013 0.000 0.755 1105 L CB -0.357 41.688 42.059 -0.023 0.000 0.904 1105 L HN 0.221 nan 8.230 nan 0.000 0.435 1106 G N -0.677 108.110 108.800 -0.023 0.000 2.396 1106 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 1106 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 1106 G C 1.577 176.468 174.900 -0.016 0.000 1.166 1106 G CA 0.562 45.642 45.100 -0.034 0.000 0.793 1106 G HN 0.146 nan 8.290 nan 0.000 0.533 1107 V N 1.932 121.849 119.914 0.005 0.000 2.380 1107 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 1107 V C 3.327 179.481 176.094 0.101 0.000 1.063 1107 V CA 2.059 64.383 62.300 0.039 0.000 1.055 1107 V CB -1.004 30.871 31.823 0.086 0.000 0.657 1107 V HN 0.462 nan 8.190 nan 0.000 0.455 1108 A N -0.147 122.727 122.820 0.090 0.000 1.908 1108 A HA -0.171 4.148 4.320 -0.000 0.000 0.218 1108 A C 2.413 180.046 177.584 0.080 0.000 1.181 1108 A CA 2.178 54.276 52.037 0.103 0.000 0.627 1108 A CB -0.730 18.301 19.000 0.052 0.000 0.818 1108 A HN 0.353 nan 8.150 nan 0.000 0.445 1109 V N 0.150 120.082 119.914 0.030 0.000 2.343 1109 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 1109 V C 2.675 178.773 176.094 0.007 0.000 1.051 1109 V CA 2.293 64.598 62.300 0.009 0.000 1.036 1109 V CB -0.998 30.808 31.823 -0.028 0.000 0.654 1109 V HN 0.648 nan 8.190 nan 0.000 0.451 1110 Q N -0.909 118.877 119.800 -0.024 0.000 2.002 1110 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 1110 Q C 2.337 178.293 176.000 -0.073 0.000 0.988 1110 Q CA 1.880 57.637 55.803 -0.077 0.000 0.843 1110 Q CB -0.397 28.243 28.738 -0.163 0.000 0.908 1110 Q HN 0.691 nan 8.270 nan 0.000 0.420 1111 H N 0.082 119.166 119.070 0.022 0.000 2.387 1111 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 1111 H C 2.094 177.440 175.328 0.030 0.000 1.099 1111 H CA 1.423 57.487 56.048 0.026 0.000 1.315 1111 H CB -0.177 29.600 29.762 0.025 0.000 1.380 1111 H HN 0.346 nan 8.280 nan 0.000 0.513 1112 A N 0.595 123.498 122.820 0.140 0.000 1.858 1112 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1112 A C 2.887 180.520 177.584 0.082 0.000 1.190 1112 A CA 1.866 53.959 52.037 0.094 0.000 0.617 1112 A CB -0.954 18.086 19.000 0.067 0.000 0.827 1112 A HN 0.217 nan 8.150 nan 0.000 0.443 1113 V N 0.173 120.129 119.914 0.070 0.000 2.343 1113 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 1113 V C 2.561 178.706 176.094 0.085 0.000 1.051 1113 V CA 1.858 64.207 62.300 0.081 0.000 1.036 1113 V CB -0.766 31.107 31.823 0.082 0.000 0.654 1113 V HN 0.558 nan 8.190 nan 0.000 0.451 1114 L N -0.168 121.096 121.223 0.068 0.000 2.079 1114 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 1114 L C 2.597 179.514 176.870 0.078 0.000 1.081 1114 L CA 2.027 56.905 54.840 0.063 0.000 0.752 1114 L CB -0.544 41.541 42.059 0.044 0.000 0.896 1114 L HN 0.360 nan 8.230 nan 0.000 0.433 1115 K N 0.641 121.094 120.400 0.089 0.000 2.057 1115 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 1115 K C 2.153 178.800 176.600 0.077 0.000 1.050 1115 K CA 1.230 57.567 56.287 0.082 0.000 0.935 1115 K CB -0.048 32.500 32.500 0.081 0.000 0.715 1115 K HN 0.255 nan 8.250 nan 0.000 0.439 1116 I N 0.815 121.434 120.570 0.082 0.000 2.394 1116 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 1116 I C 1.849 178.020 176.117 0.090 0.000 1.136 1116 I CA 1.088 62.439 61.300 0.084 0.000 1.425 1116 I CB 0.062 38.116 38.000 0.091 0.000 1.079 1116 I HN 0.253 nan 8.210 nan 0.000 0.425 1117 I N 0.851 121.478 120.570 0.095 0.000 2.252 1117 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 1117 I C 1.936 178.096 176.117 0.072 0.000 1.102 1117 I CA 1.317 62.677 61.300 0.099 0.000 1.385 1117 I CB -0.505 37.550 38.000 0.093 0.000 1.064 1117 I HN 0.257 nan 8.210 nan 0.000 0.414 1118 D N 0.429 120.868 120.400 0.064 0.000 2.178 1118 D HA -0.217 4.423 4.640 -0.000 0.000 0.202 1118 D C 1.953 178.297 176.300 0.072 0.000 0.974 1118 D CA 1.027 55.063 54.000 0.060 0.000 0.841 1118 D CB -0.172 40.665 40.800 0.061 0.000 0.953 1118 D HN 0.431 nan 8.370 nan 0.000 0.478 1119 E N 0.179 120.423 120.200 0.074 0.000 2.150 1119 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1119 E C 2.094 178.743 176.600 0.080 0.000 0.985 1119 E CA 0.279 56.727 56.400 0.079 0.000 0.814 1119 E CB 0.079 29.826 29.700 0.078 0.000 0.752 1119 E HN 0.101 nan 8.360 nan 0.000 0.466 1120 L N 1.248 122.511 121.223 0.067 0.000 2.044 1120 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 1120 L C 1.863 178.767 176.870 0.057 0.000 1.075 1120 L CA 1.821 56.685 54.840 0.041 0.000 0.747 1120 L CB -0.340 41.736 42.059 0.028 0.000 0.903 1120 L HN 0.026 nan 8.230 nan 0.000 0.435 1121 E N -0.277 119.966 120.200 0.072 0.000 2.160 1121 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 1121 E C 2.274 178.985 176.600 0.185 0.000 0.991 1121 E CA 1.537 58.014 56.400 0.127 0.000 0.810 1121 E CB -0.201 29.529 29.700 0.050 0.000 0.742 1121 E HN 0.595 nan 8.360 nan 0.000 0.466 1122 I N 0.896 121.546 120.570 0.134 0.000 2.315 1122 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 1122 I C 2.210 178.397 176.117 0.117 0.000 1.117 1122 I CA 0.831 62.207 61.300 0.126 0.000 1.404 1122 I CB -0.067 37.993 38.000 0.100 0.000 1.071 1122 I HN 0.028 nan 8.210 nan 0.000 0.419 1123 K N 0.459 120.926 120.400 0.112 0.000 2.002 1123 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 1123 K C 2.157 178.816 176.600 0.099 0.000 1.048 1123 K CA 2.203 58.561 56.287 0.119 0.000 0.930 1123 K CB -1.176 31.407 32.500 0.139 0.000 0.714 1123 K HN 0.443 nan 8.250 nan 0.000 0.438 1124 T N 0.788 115.386 114.554 0.073 0.000 2.684 1124 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 1124 T C 2.043 176.758 174.700 0.025 0.000 1.036 1124 T CA 1.211 63.326 62.100 0.025 0.000 1.148 1124 T CB -0.563 68.323 68.868 0.031 0.000 0.863 1124 T HN 0.044 nan 8.240 nan 0.000 0.436 1125 L N 1.912 123.188 121.223 0.088 0.000 2.187 1125 L HA 0.232 4.572 4.340 -0.000 0.000 0.213 1125 L C 1.415 178.343 176.870 0.097 0.000 1.100 1125 L CA 1.580 56.453 54.840 0.054 0.000 0.765 1125 L CB -1.322 40.802 42.059 0.109 0.000 0.904 1125 L HN 0.925 nan 8.230 nan 0.000 0.437 1126 G N -2.161 106.701 108.800 0.104 0.000 2.741 1126 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.222 1126 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.222 1126 G C 0.612 175.579 174.900 0.111 0.000 1.364 1126 G CA 0.344 45.515 45.100 0.118 0.000 0.866 1126 G HN 0.561 nan 8.290 nan 0.000 0.555 1127 S N -0.440 115.319 115.700 0.098 0.000 2.325 1127 S HA 0.420 4.890 4.470 -0.000 0.000 0.213 1127 S C 2.340 176.981 174.600 0.068 0.000 1.031 1127 S CA 1.767 60.009 58.200 0.070 0.000 0.984 1127 S CB -0.689 62.540 63.200 0.048 0.000 0.939 1127 S HN 2.927 nan 8.310 nan 0.000 0.438 1128 G N 1.145 109.994 108.800 0.081 0.000 2.715 1128 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.221 1128 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.221 1128 G C -0.064 174.845 174.900 0.016 0.000 1.204 1128 G CA 0.127 45.247 45.100 0.032 0.000 1.063 1128 G HN 0.439 nan 8.290 nan 0.000 0.586 1129 E N -0.585 119.609 120.200 -0.010 0.000 2.534 1129 E HA 0.193 4.543 4.350 -0.000 0.000 0.179 1129 E C -0.105 176.491 176.600 -0.008 0.000 0.916 1129 E CA 0.254 56.652 56.400 -0.003 0.000 1.354 1129 E CB 1.000 30.693 29.700 -0.011 0.000 1.321 1129 E HN 0.446 nan 8.360 nan 0.000 0.663 1130 K N 1.617 122.010 120.400 -0.012 0.000 2.471 1130 K HA 0.459 4.779 4.320 -0.000 0.000 0.252 1130 K C -1.186 175.413 176.600 -0.000 0.000 0.938 1130 K CA -0.492 55.790 56.287 -0.008 0.000 0.796 1130 K CB 1.598 34.088 32.500 -0.017 0.000 1.161 1130 K HN -0.002 nan 8.250 nan 0.000 0.425 1131 S N 1.877 117.579 115.700 0.004 0.000 2.513 1131 S HA 0.665 5.135 4.470 -0.000 0.000 0.299 1131 S C 0.101 174.707 174.600 0.011 0.000 1.087 1131 S CA -0.879 57.326 58.200 0.009 0.000 1.012 1131 S CB 1.561 64.767 63.200 0.009 0.000 1.044 1131 S HN 0.765 nan 8.310 nan 0.000 0.485 1132 G N 1.401 110.211 108.800 0.016 0.000 2.343 1132 G HA2 0.335 4.295 3.960 -0.000 0.000 0.254 1132 G HA3 0.335 4.295 3.960 -0.000 0.000 0.254 1132 G C 1.069 175.978 174.900 0.015 0.000 1.277 1132 G CA -0.113 44.998 45.100 0.018 0.000 0.909 1132 G HN 1.450 nan 8.290 nan 0.000 0.502 1133 S N 1.588 117.296 115.700 0.013 0.000 2.462 1133 S HA -0.232 4.238 4.470 -0.000 0.000 0.255 1133 S C 2.194 176.800 174.600 0.010 0.000 1.058 1133 S CA 1.688 59.894 58.200 0.010 0.000 1.019 1133 S CB -0.426 62.780 63.200 0.010 0.000 0.801 1133 S HN 1.002 nan 8.310 nan 0.000 0.491 1134 G N 0.435 109.243 108.800 0.013 0.000 2.813 1134 G HA2 0.457 4.417 3.960 -0.000 0.000 0.209 1134 G HA3 0.457 4.417 3.960 -0.000 0.000 0.209 1134 G C 0.949 175.854 174.900 0.007 0.000 1.150 1134 G CA 0.144 45.251 45.100 0.011 0.000 0.785 1134 G HN 1.331 nan 8.290 nan 0.000 0.535 1135 G N -0.479 108.326 108.800 0.008 0.000 2.488 1135 G HA2 0.239 4.199 3.960 -0.000 0.000 0.237 1135 G HA3 0.239 4.199 3.960 -0.000 0.000 0.237 1135 G C 0.482 175.386 174.900 0.008 0.000 1.209 1135 G CA 0.344 45.447 45.100 0.006 0.000 0.929 1135 G HN 1.381 nan 8.290 nan 0.000 0.578 1136 A N 0.540 123.361 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.519 177.058 177.584 -0.012 0.000 0.964 1136 A CA 0.821 52.859 52.037 0.002 0.000 1.045 1136 A CB 0.549 19.552 19.000 0.004 0.000 1.174 1136 A HN 0.673 nan 8.150 nan 0.000 0.493 1137 P HA -0.058 nan 4.420 nan 0.000 0.234 1137 P C 0.652 177.921 177.300 -0.051 0.000 1.167 1137 P CA 0.988 64.067 63.100 -0.036 0.000 0.763 1137 P CB -0.250 31.429 31.700 -0.035 0.000 0.835 1138 T N 0.871 115.409 114.554 -0.027 0.000 2.779 1138 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 1138 T C -1.659 173.029 174.700 -0.021 0.000 0.938 1138 T CA -1.702 60.388 62.100 -0.018 0.000 1.119 1138 T CB 0.368 69.254 68.868 0.030 0.000 0.891 1138 T HN -0.119 nan 8.240 nan 0.000 0.526 1139 P HA -0.081 nan 4.420 nan 0.000 0.224 1139 P C 0.104 177.375 177.300 -0.050 0.000 0.880 1139 P CA 0.850 63.918 63.100 -0.054 0.000 1.070 1139 P CB 0.180 31.858 31.700 -0.038 0.000 0.652 1140 I N -2.258 118.300 120.570 -0.020 0.000 2.545 1140 I HA 0.519 4.689 4.170 -0.000 0.000 0.292 1140 I C 0.633 176.829 176.117 0.132 0.000 1.040 1140 I CA -1.014 60.286 61.300 0.001 0.000 1.068 1140 I CB 1.789 39.727 38.000 -0.103 0.000 1.251 1140 I HN 0.120 nan 8.210 nan 0.000 0.424 1141 G N 5.333 114.222 108.800 0.149 0.000 2.527 1141 G HA2 0.070 4.030 3.960 -0.000 0.000 0.279 1141 G HA3 0.070 4.030 3.960 -0.000 0.000 0.279 1141 G C 0.478 175.489 174.900 0.186 0.000 1.374 1141 G CA -0.152 45.058 45.100 0.183 0.000 1.053 1141 G HN 0.802 nan 8.290 nan 0.000 0.539 1142 M N -1.791 117.813 119.600 0.006 0.000 2.453 1142 M HA 0.436 4.916 4.480 -0.000 0.000 0.239 1142 M C -0.184 175.909 176.300 -0.344 0.000 1.151 1142 M CA 0.318 55.492 55.300 -0.210 0.000 0.989 1142 M CB 0.360 32.711 32.600 -0.415 0.000 1.548 1142 M HN 0.335 nan 8.290 nan 0.000 0.479 1143 Y N 0.337 120.692 120.300 0.093 0.000 2.774 1143 Y HA 0.606 5.156 4.550 -0.000 0.000 0.305 1143 Y C 1.856 177.850 175.900 0.158 0.000 1.067 1143 Y CA -0.348 57.807 58.100 0.092 0.000 1.304 1143 Y CB -0.040 38.454 38.460 0.057 0.000 1.209 1143 Y HN 0.423 nan 8.280 nan 0.000 0.543 1144 A N 0.033 123.021 122.820 0.279 0.000 1.883 1144 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 1144 A C 2.074 179.867 177.584 0.349 0.000 1.186 1144 A CA 1.578 53.818 52.037 0.339 0.000 0.624 1144 A CB -0.584 18.589 19.000 0.287 0.000 0.822 1144 A HN 0.477 nan 8.150 nan 0.000 0.444 1145 L N -0.337 121.039 121.223 0.255 0.000 1.997 1145 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 1145 L C 2.569 179.570 176.870 0.218 0.000 1.074 1145 L CA 2.558 57.534 54.840 0.228 0.000 0.763 1145 L CB -0.758 41.398 42.059 0.160 0.000 0.890 1145 L HN 0.509 nan 8.230 nan 0.000 0.434 1146 R N 0.061 120.687 120.500 0.209 0.000 2.080 1146 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 1146 R C 2.162 178.550 176.300 0.146 0.000 1.137 1146 R CA 2.010 58.207 56.100 0.162 0.000 0.943 1146 R CB -0.503 29.907 30.300 0.183 0.000 0.846 1146 R HN 0.528 nan 8.270 nan 0.000 0.431 1147 E N -1.222 119.115 120.200 0.227 0.000 2.106 1147 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 1147 E C 1.687 178.393 176.600 0.177 0.000 0.984 1147 E CA 1.240 57.790 56.400 0.250 0.000 0.806 1147 E CB -0.321 29.609 29.700 0.383 0.000 0.750 1147 E HN 0.374 nan 8.360 nan 0.000 0.458 1148 Y N 1.587 121.841 120.300 -0.076 0.000 2.089 1148 Y HA -0.182 4.368 4.550 -0.000 0.000 0.282 1148 Y C 1.903 177.585 175.900 -0.363 0.000 1.139 1148 Y CA 1.390 59.104 58.100 -0.642 0.000 1.123 1148 Y CB -0.427 37.714 38.460 -0.533 0.000 0.980 1148 Y HN -0.076 nan 8.280 nan 0.000 0.493 1149 L N -0.731 120.298 121.223 -0.324 0.000 2.127 1149 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 1149 L C 2.765 179.486 176.870 -0.247 0.000 1.089 1149 L CA 1.680 56.306 54.840 -0.357 0.000 0.757 1149 L CB -0.842 41.132 42.059 -0.143 0.000 0.899 1149 L HN 0.254 nan 8.230 nan 0.000 0.434 1150 S N -0.440 115.177 115.700 -0.139 0.000 2.406 1150 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 1150 S C 2.059 176.601 174.600 -0.096 0.000 1.020 1150 S CA 1.060 59.211 58.200 -0.082 0.000 0.965 1150 S CB 0.053 63.244 63.200 -0.016 0.000 0.798 1150 S HN 0.435 nan 8.310 nan 0.000 0.488 1151 A N 1.505 124.244 122.820 -0.136 0.000 1.874 1151 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 1151 A C 2.204 179.693 177.584 -0.159 0.000 1.189 1151 A CA 1.193 53.168 52.037 -0.103 0.000 0.615 1151 A CB -0.658 18.301 19.000 -0.068 0.000 0.830 1151 A HN 0.549 nan 8.150 nan 0.000 0.443 1152 R N -0.404 119.911 120.500 -0.308 0.000 2.075 1152 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 1152 R C 2.546 178.734 176.300 -0.187 0.000 1.126 1152 R CA 1.572 57.498 56.100 -0.289 0.000 0.963 1152 R CB -0.313 29.679 30.300 -0.514 0.000 0.858 1152 R HN 0.526 nan 8.270 nan 0.000 0.435 1153 S N -0.543 115.044 115.700 -0.187 0.000 2.365 1153 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 1153 S C 1.714 176.267 174.600 -0.079 0.000 1.039 1153 S CA 2.135 60.263 58.200 -0.120 0.000 1.033 1153 S CB -0.366 62.770 63.200 -0.106 0.000 0.887 1153 S HN 0.481 nan 8.310 nan 0.000 0.447 1154 T N 1.241 115.753 114.554 -0.071 0.000 2.833 1154 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 1154 T C 1.723 176.400 174.700 -0.038 0.000 1.054 1154 T CA 1.446 63.519 62.100 -0.044 0.000 1.135 1154 T CB -0.260 68.588 68.868 -0.032 0.000 0.869 1154 T HN 0.317 nan 8.240 nan 0.000 0.466 1155 V N 1.071 120.957 119.914 -0.047 0.000 2.788 1155 V HA 0.011 4.131 4.120 -0.000 0.000 0.251 1155 V C 2.188 178.264 176.094 -0.030 0.000 1.068 1155 V CA 1.049 63.328 62.300 -0.035 0.000 1.090 1155 V CB -0.404 31.397 31.823 -0.036 0.000 0.710 1155 V HN 0.506 nan 8.190 nan 0.000 0.467 1156 E N -0.122 120.053 120.200 -0.042 0.000 2.418 1156 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 1156 E C 1.488 178.073 176.600 -0.026 0.000 1.026 1156 E CA 0.692 57.073 56.400 -0.033 0.000 0.862 1156 E CB 0.034 29.706 29.700 -0.047 0.000 0.799 1156 E HN 0.573 nan 8.360 nan 0.000 0.518 1157 D N 0.482 120.866 120.400 -0.027 0.000 2.240 1157 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 1157 D C 1.478 177.769 176.300 -0.015 0.000 0.963 1157 D CA 0.676 54.664 54.000 -0.021 0.000 0.863 1157 D CB 0.274 41.061 40.800 -0.022 0.000 0.973 1157 D HN 0.066 nan 8.370 nan 0.000 0.501 1158 K N 0.222 120.613 120.400 -0.014 0.000 2.217 1158 K HA 0.045 4.365 4.320 -0.000 0.000 0.202 1158 K C 2.057 178.654 176.600 -0.006 0.000 1.051 1158 K CA 0.380 56.661 56.287 -0.010 0.000 0.952 1158 K CB 0.510 33.004 32.500 -0.009 0.000 0.736 1158 K HN 0.102 nan 8.250 nan 0.000 0.453 1159 L N 0.329 121.548 121.223 -0.006 0.000 2.121 1159 L HA -0.033 4.307 4.340 -0.000 0.000 0.200 1159 L C 2.239 179.108 176.870 -0.002 0.000 1.132 1159 L CA 0.576 55.415 54.840 -0.001 0.000 0.782 1159 L CB -0.454 41.608 42.059 0.005 0.000 0.940 1159 L HN 0.089 nan 8.230 nan 0.000 0.458 1160 L N -0.511 120.710 121.223 -0.004 0.000 2.081 1160 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 1160 L C 1.818 178.684 176.870 -0.006 0.000 1.080 1160 L CA 1.509 56.346 54.840 -0.005 0.000 0.754 1160 L CB -0.787 41.267 42.059 -0.008 0.000 0.893 1160 L HN 0.741 nan 8.230 nan 0.000 0.433 1161 G N -1.500 107.295 108.800 -0.008 0.000 3.079 1161 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.214 1161 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.214 1161 G C 0.445 175.340 174.900 -0.008 0.000 1.335 1161 G CA 0.032 45.127 45.100 -0.007 0.000 0.822 1161 G HN 0.255 nan 8.290 nan 0.000 0.545 1162 V N -0.050 119.859 119.914 -0.008 0.000 1.056 1162 V HA 0.280 4.400 4.120 -0.000 0.000 0.165 1162 V C 0.034 176.124 176.094 -0.007 0.000 0.828 1162 V CA 1.512 63.806 62.300 -0.009 0.000 2.857 1162 V CB -0.514 31.303 31.823 -0.010 0.000 0.437 1162 V HN 2.282 nan 8.190 nan 0.000 0.090 1163 D N -1.045 119.351 120.400 -0.007 0.000 5.355 1163 D HA 0.702 5.342 4.640 -0.000 0.000 0.362 1163 D C -0.162 176.135 176.300 -0.005 0.000 1.870 1163 D CA 1.047 55.043 54.000 -0.006 0.000 1.038 1163 D CB 0.796 41.592 40.800 -0.006 0.000 1.544 1163 D HN 2.565 nan 8.370 nan 0.000 0.702 1164 A N -0.524 122.293 122.820 -0.005 0.000 5.432 1164 A HA 0.563 4.883 4.320 -0.000 0.000 0.181 1164 A C -1.659 175.923 177.584 -0.004 0.000 0.940 1164 A CA 0.117 52.151 52.037 -0.005 0.000 0.828 1164 A CB -0.011 18.987 19.000 -0.004 0.000 2.058 1164 A HN 0.642 nan 8.150 nan 0.000 1.020 1165 E N -0.807 119.390 120.200 -0.004 0.000 2.416 1165 E HA 0.592 4.942 4.350 -0.000 0.000 0.280 1165 E C -1.578 175.020 176.600 -0.003 0.000 1.055 1165 E CA 0.023 56.421 56.400 -0.004 0.000 0.825 1165 E CB 2.093 31.791 29.700 -0.004 0.000 1.312 1165 E HN 1.524 nan 8.360 nan 0.000 0.452 1166 S N -0.747 114.951 115.700 -0.003 0.000 2.774 1166 S HA 0.079 4.549 4.470 -0.000 0.000 0.857 1166 S C 0.301 174.899 174.600 -0.003 0.000 0.840 1166 S CA 1.064 59.263 58.200 -0.003 0.000 1.521 1166 S CB -0.665 62.533 63.200 -0.003 0.000 1.094 1166 S HN 1.251 nan 8.310 nan 0.000 0.241 1167 G N 4.679 113.478 108.800 -0.002 0.000 5.259 1167 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.288 1167 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.288 1167 G C -0.776 174.122 174.900 -0.002 0.000 1.534 1167 G CA 0.621 45.719 45.100 -0.002 0.000 1.031 1167 G HN 0.981 nan 8.290 nan 0.000 0.724 1168 K N 1.202 121.600 120.400 -0.003 0.000 2.613 1168 K HA 0.555 4.875 4.320 -0.000 0.000 0.248 1168 K C 0.827 177.425 176.600 -0.003 0.000 0.959 1168 K CA 0.129 56.414 56.287 -0.003 0.000 0.855 1168 K CB 1.346 33.844 32.500 -0.003 0.000 1.143 1168 K HN 0.353 nan 8.250 nan 0.000 0.437 1169 T N 1.336 115.888 114.554 -0.004 0.000 2.848 1169 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 1169 T C 0.886 175.584 174.700 -0.004 0.000 1.081 1169 T CA 1.290 63.388 62.100 -0.004 0.000 1.125 1169 T CB -0.050 68.815 68.868 -0.005 0.000 0.848 1169 T HN 0.401 nan 8.240 nan 0.000 0.503 1170 K N 0.692 121.090 120.400 -0.004 0.000 2.186 1170 K HA 0.205 4.525 4.320 -0.000 0.000 0.250 1170 K C 1.287 177.885 176.600 -0.004 0.000 1.044 1170 K CA 0.822 57.107 56.287 -0.003 0.000 0.795 1170 K CB -0.225 32.273 32.500 -0.003 0.000 1.052 1170 K HN 0.393 nan 8.250 nan 0.000 0.535 1171 G N -1.445 107.352 108.800 -0.004 0.000 2.718 1171 G HA2 0.251 4.211 3.960 -0.000 0.000 0.123 1171 G HA3 0.251 4.211 3.960 -0.000 0.000 0.123 1171 G C -0.719 174.178 174.900 -0.004 0.000 1.042 1171 G CA -0.015 45.082 45.100 -0.004 0.000 1.397 1171 G HN 0.785 nan 8.290 nan 0.000 0.611 1172 G N -0.005 108.793 108.800 -0.004 0.000 2.590 1172 G HA2 0.733 4.693 3.960 -0.000 0.000 0.310 1172 G HA3 0.733 4.693 3.960 -0.000 0.000 0.310 1172 G C -0.190 174.708 174.900 -0.003 0.000 1.347 1172 G CA 0.598 45.696 45.100 -0.003 0.000 0.963 1172 G HN 1.292 nan 8.290 nan 0.000 0.494 1173 G N -0.406 108.393 108.800 -0.002 0.000 3.135 1173 G HA2 0.696 4.656 3.960 -0.000 0.000 0.278 1173 G HA3 0.696 4.656 3.960 -0.000 0.000 0.278 1173 G C -0.873 174.026 174.900 -0.001 0.000 1.302 1173 G CA -0.199 44.900 45.100 -0.002 0.000 0.880 1173 G HN 0.909 nan 8.290 nan 0.000 0.574 1174 S N -2.146 113.555 115.700 0.001 0.000 2.715 1174 S HA 0.461 4.931 4.470 -0.000 0.000 0.307 1174 S C 0.446 175.047 174.600 0.003 0.000 1.119 1174 S CA -0.444 57.757 58.200 0.001 0.000 0.937 1174 S CB 1.965 65.166 63.200 0.002 0.000 1.150 1174 S HN 0.539 nan 8.310 nan 0.000 0.521 1175 Q N 0.362 120.163 119.800 0.002 0.000 2.402 1175 Q HA 0.207 4.547 4.340 -0.000 0.000 0.231 1175 Q C 0.112 176.114 176.000 0.003 0.000 0.888 1175 Q CA -0.023 55.782 55.803 0.003 0.000 0.938 1175 Q CB 0.352 29.091 28.738 0.002 0.000 1.086 1175 Q HN 0.624 nan 8.270 nan 0.000 0.543 1176 S N 3.265 118.966 115.700 0.002 0.000 3.184 1176 S HA -0.030 4.440 4.470 -0.000 0.000 0.376 1176 S C -1.471 173.130 174.600 0.002 0.000 1.163 1176 S CA -0.804 57.396 58.200 0.001 0.000 1.314 1176 S CB 0.457 63.657 63.200 -0.001 0.000 0.962 1176 S HN 0.158 nan 8.310 nan 0.000 0.543 1177 P HA -0.049 nan 4.420 nan 0.000 0.220 1177 P C 1.192 178.492 177.300 -0.001 0.000 1.148 1177 P CA 0.850 63.952 63.100 0.003 0.000 0.803 1177 P CB 0.023 31.725 31.700 0.003 0.000 0.782 1178 S N -0.097 115.601 115.700 -0.003 0.000 2.406 1178 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 1178 S C 1.804 176.397 174.600 -0.012 0.000 1.020 1178 S CA 0.464 58.659 58.200 -0.008 0.000 0.965 1178 S CB -0.980 62.216 63.200 -0.007 0.000 0.798 1178 S HN 0.078 nan 8.310 nan 0.000 0.488 1179 L N 1.469 122.687 121.223 -0.007 0.000 2.191 1179 L HA 0.051 4.391 4.340 -0.000 0.000 0.212 1179 L C 1.868 178.733 176.870 -0.010 0.000 1.103 1179 L CA 1.178 56.013 54.840 -0.008 0.000 0.769 1179 L CB -0.443 41.614 42.059 -0.004 0.000 0.908 1179 L HN 0.266 nan 8.230 nan 0.000 0.438 1180 L N -1.266 119.955 121.223 -0.003 0.000 2.095 1180 L HA -0.071 4.269 4.340 -0.000 0.000 0.204 1180 L C 2.134 178.986 176.870 -0.029 0.000 1.080 1180 L CA 1.595 56.440 54.840 0.008 0.000 0.759 1180 L CB -0.439 41.636 42.059 0.028 0.000 0.914 1180 L HN 0.230 nan 8.230 nan 0.000 0.439 1181 L N -0.543 120.654 121.223 -0.044 0.000 2.201 1181 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 1181 L C 2.467 179.266 176.870 -0.118 0.000 1.105 1181 L CA 1.249 56.036 54.840 -0.088 0.000 0.775 1181 L CB -0.444 41.583 42.059 -0.054 0.000 0.913 1181 L HN 0.435 nan 8.230 nan 0.000 0.440 1182 E N 0.450 120.606 120.200 -0.074 0.000 2.208 1182 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 1182 E C 2.159 178.711 176.600 -0.080 0.000 0.988 1182 E CA 0.611 56.975 56.400 -0.059 0.000 0.828 1182 E CB 0.117 29.801 29.700 -0.027 0.000 0.763 1182 E HN 0.317 nan 8.360 nan 0.000 0.478 1183 L N 1.094 122.260 121.223 -0.095 0.000 2.141 1183 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 1183 L C 2.343 179.068 176.870 -0.242 0.000 1.094 1183 L CA 1.564 56.351 54.840 -0.088 0.000 0.763 1183 L CB -0.266 41.792 42.059 -0.001 0.000 0.908 1183 L HN -0.019 nan 8.230 nan 0.000 0.437 1184 R N -1.327 118.876 120.500 -0.496 0.000 2.090 1184 R HA -0.155 4.185 4.340 -0.000 0.000 0.228 1184 R C 2.260 178.323 176.300 -0.396 0.000 1.110 1184 R CA 1.187 56.740 56.100 -0.911 0.000 0.973 1184 R CB -0.110 29.634 30.300 -0.926 0.000 0.869 1184 R HN 0.358 nan 8.270 nan 0.000 0.440 1185 Q N 0.717 120.392 119.800 -0.209 0.000 2.123 1185 Q HA 0.029 4.368 4.340 -0.000 0.000 0.199 1185 Q C 1.851 177.861 176.000 0.017 0.000 0.966 1185 Q CA 1.367 57.120 55.803 -0.083 0.000 0.845 1185 Q CB -0.019 28.693 28.738 -0.043 0.000 0.907 1185 Q HN 0.423 nan 8.270 nan 0.000 0.439 1186 I N 0.719 121.312 120.570 0.039 0.000 2.423 1186 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 1186 I C 1.071 177.334 176.117 0.243 0.000 1.151 1186 I CA 1.168 62.567 61.300 0.164 0.000 1.421 1186 I CB -0.213 37.833 38.000 0.076 0.000 1.079 1186 I HN 0.203 nan 8.210 nan 0.000 0.431 1187 D N 0.776 121.260 120.400 0.140 0.000 2.213 1187 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 1187 D C 2.239 178.589 176.300 0.083 0.000 0.961 1187 D CA 1.171 55.269 54.000 0.164 0.000 0.853 1187 D CB 0.116 41.016 40.800 0.167 0.000 0.967 1187 D HN 0.300 nan 8.370 nan 0.000 0.496 1188 A N 1.239 124.068 122.820 0.015 0.000 1.872 1188 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 1188 A C 1.840 179.506 177.584 0.136 0.000 1.187 1188 A CA 1.278 53.280 52.037 -0.058 0.000 0.614 1188 A CB -0.229 18.651 19.000 -0.201 0.000 0.826 1188 A HN -0.030 nan 8.150 nan 0.000 0.442 1189 D N -0.387 120.104 120.400 0.151 0.000 2.077 1189 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 1189 D C 1.445 177.810 176.300 0.109 0.000 0.989 1189 D CA 1.188 55.272 54.000 0.141 0.000 0.831 1189 D CB -0.612 40.266 40.800 0.131 0.000 0.979 1189 D HN 0.386 nan 8.370 nan 0.000 0.449 1190 F N 0.227 120.166 119.950 -0.019 0.000 2.481 1190 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 1190 F C 2.222 177.930 175.800 -0.153 0.000 1.095 1190 F CA 0.642 58.578 58.000 -0.107 0.000 1.465 1190 F CB -0.079 38.794 39.000 -0.213 0.000 1.098 1190 F HN -0.029 nan 8.300 nan 0.000 0.585 1191 M N -1.788 117.858 119.600 0.077 0.000 2.534 1191 M HA 0.058 4.538 4.480 -0.000 0.000 0.263 1191 M C 2.059 178.364 176.300 0.008 0.000 1.152 1191 M CA 0.688 56.009 55.300 0.036 0.000 1.145 1191 M CB -0.766 31.897 32.600 0.105 0.000 1.333 1191 M HN 0.221 nan 8.290 nan 0.000 0.477 1192 L N 0.865 122.110 121.223 0.037 0.000 2.131 1192 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 1192 L C 1.974 178.761 176.870 -0.139 0.000 1.087 1192 L CA 1.851 56.633 54.840 -0.096 0.000 0.767 1192 L CB -0.516 41.495 42.059 -0.080 0.000 0.917 1192 L HN 0.128 nan 8.230 nan 0.000 0.441 1193 K N -1.082 119.220 120.400 -0.163 0.000 2.280 1193 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 1193 K C 1.760 178.201 176.600 -0.265 0.000 1.047 1193 K CA 1.239 57.390 56.287 -0.227 0.000 0.942 1193 K CB -0.088 32.206 32.500 -0.342 0.000 0.739 1193 K HN 0.282 nan 8.250 nan 0.000 0.457 1194 V N 0.900 120.646 119.914 -0.280 0.000 2.878 1194 V HA -0.096 4.024 4.120 -0.000 0.000 0.250 1194 V C 1.958 177.904 176.094 -0.245 0.000 1.075 1194 V CA 1.149 63.208 62.300 -0.402 0.000 1.096 1194 V CB -0.165 31.425 31.823 -0.388 0.000 0.724 1194 V HN 0.258 nan 8.190 nan 0.000 0.467 1195 E N 0.561 120.662 120.200 -0.165 0.000 2.015 1195 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 1195 E C 2.255 178.802 176.600 -0.088 0.000 0.991 1195 E CA 1.377 57.709 56.400 -0.114 0.000 0.802 1195 E CB -0.150 29.477 29.700 -0.123 0.000 0.759 1195 E HN 0.478 nan 8.360 nan 0.000 0.447 1196 L N 0.642 121.808 121.223 -0.096 0.000 1.970 1196 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 1196 L C 2.729 179.590 176.870 -0.014 0.000 1.071 1196 L CA 1.231 56.036 54.840 -0.058 0.000 0.751 1196 L CB -0.797 41.215 42.059 -0.078 0.000 0.889 1196 L HN 0.137 nan 8.230 nan 0.000 0.432 1197 A N 0.471 123.265 122.820 -0.044 0.000 1.958 1197 A HA -0.275 4.045 4.320 -0.000 0.000 0.221 1197 A C 2.413 180.060 177.584 0.106 0.000 1.178 1197 A CA 2.753 54.812 52.037 0.037 0.000 0.642 1197 A CB -1.086 17.900 19.000 -0.024 0.000 0.816 1197 A HN 0.620 nan 8.150 nan 0.000 0.453 1198 T N -4.367 110.217 114.554 0.051 0.000 2.978 1198 T HA -0.044 4.306 4.350 -0.000 0.000 0.262 1198 T C 1.773 176.492 174.700 0.031 0.000 1.063 1198 T CA 1.652 63.795 62.100 0.072 0.000 1.140 1198 T CB -0.692 68.207 68.868 0.053 0.000 0.886 1198 T HN 0.313 nan 8.240 nan 0.000 0.470 1199 T N 1.131 115.701 114.554 0.026 0.000 2.708 1199 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 1199 T C 1.758 176.484 174.700 0.045 0.000 1.037 1199 T CA 1.808 63.921 62.100 0.023 0.000 1.146 1199 T CB -0.553 68.325 68.868 0.017 0.000 0.865 1199 T HN 0.679 nan 8.240 nan 0.000 0.435 1200 H N 0.708 119.769 119.070 -0.015 0.000 2.389 1200 H HA 0.094 4.650 4.556 -0.000 0.000 0.299 1200 H C 1.949 177.270 175.328 -0.011 0.000 1.081 1200 H CA 0.903 56.945 56.048 -0.010 0.000 1.345 1200 H CB -0.530 29.228 29.762 -0.007 0.000 1.393 1200 H HN 0.152 nan 8.280 nan 0.000 0.520 1201 L N 0.007 121.173 121.223 -0.095 0.000 2.265 1201 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 1201 L C 2.085 178.846 176.870 -0.181 0.000 1.117 1201 L CA 1.364 56.106 54.840 -0.163 0.000 0.782 1201 L CB -0.628 41.403 42.059 -0.046 0.000 0.914 1201 L HN 0.236 nan 8.230 nan 0.000 0.441 1202 S N -1.328 114.298 115.700 -0.122 0.000 2.335 1202 S HA -0.154 4.316 4.470 -0.000 0.000 0.217 1202 S C 1.785 176.319 174.600 -0.109 0.000 1.032 1202 S CA 1.630 59.770 58.200 -0.100 0.000 0.985 1202 S CB -0.531 62.637 63.200 -0.053 0.000 0.896 1202 S HN 0.534 nan 8.310 nan 0.000 0.445 1203 T N 2.563 117.049 114.554 -0.114 0.000 2.624 1203 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 1203 T C 1.871 176.494 174.700 -0.129 0.000 1.041 1203 T CA 1.889 63.930 62.100 -0.098 0.000 1.159 1203 T CB -0.435 68.385 68.868 -0.080 0.000 0.863 1203 T HN 0.196 nan 8.240 nan 0.000 0.434 1204 M N 1.018 120.466 119.600 -0.254 0.000 2.082 1204 M HA -0.093 4.387 4.480 -0.000 0.000 0.258 1204 M C 2.181 178.418 176.300 -0.106 0.000 1.069 1204 M CA 1.452 56.629 55.300 -0.205 0.000 1.102 1204 M CB -0.753 31.662 32.600 -0.307 0.000 1.336 1204 M HN 0.099 nan 8.290 nan 0.000 0.404 1205 V N 0.239 120.064 119.914 -0.148 0.000 2.343 1205 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 1205 V C 2.401 178.517 176.094 0.037 0.000 1.051 1205 V CA 2.037 64.267 62.300 -0.117 0.000 1.036 1205 V CB -0.807 30.860 31.823 -0.259 0.000 0.654 1205 V HN 0.465 nan 8.190 nan 0.000 0.451 1206 R N 0.075 120.580 120.500 0.009 0.000 2.096 1206 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 1206 R C 2.403 178.748 176.300 0.075 0.000 1.127 1206 R CA 1.449 57.579 56.100 0.050 0.000 0.968 1206 R CB -0.579 29.735 30.300 0.023 0.000 0.861 1206 R HN 0.558 nan 8.270 nan 0.000 0.440 1207 A N 0.842 123.695 122.820 0.055 0.000 1.855 1207 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 1207 A C 2.368 180.021 177.584 0.116 0.000 1.191 1207 A CA 1.369 53.448 52.037 0.071 0.000 0.613 1207 A CB -0.580 18.447 19.000 0.046 0.000 0.829 1207 A HN 0.106 nan 8.150 nan 0.000 0.442 1208 V N 0.524 120.525 119.914 0.144 0.000 2.469 1208 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 1208 V C 2.375 178.615 176.094 0.242 0.000 1.064 1208 V CA 1.930 64.356 62.300 0.210 0.000 1.066 1208 V CB -0.864 31.134 31.823 0.292 0.000 0.667 1208 V HN 0.549 nan 8.190 nan 0.000 0.461 1209 I N 0.745 121.455 120.570 0.234 0.000 2.142 1209 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 1209 I C 2.493 178.740 176.117 0.216 0.000 1.078 1209 I CA 2.190 63.617 61.300 0.213 0.000 1.343 1209 I CB -0.595 37.517 38.000 0.185 0.000 1.046 1209 I HN 0.422 nan 8.210 nan 0.000 0.405 1210 N N 1.498 120.299 118.700 0.168 0.000 2.043 1210 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 1210 N C 1.856 177.460 175.510 0.156 0.000 1.037 1210 N CA 1.989 55.127 53.050 0.145 0.000 0.851 1210 N CB -0.201 38.349 38.487 0.105 0.000 1.027 1210 N HN 0.303 nan 8.380 nan 0.000 0.422 1211 A N -0.946 121.967 122.820 0.154 0.000 1.940 1211 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 1211 A C 2.229 179.914 177.584 0.169 0.000 1.176 1211 A CA 1.575 53.696 52.037 0.140 0.000 0.631 1211 A CB -1.212 17.869 19.000 0.135 0.000 0.814 1211 A HN 0.658 nan 8.150 nan 0.000 0.446 1212 Y N 0.158 120.524 120.300 0.111 0.000 2.176 1212 Y HA -0.010 4.540 4.550 -0.000 0.000 0.291 1212 Y C 1.913 177.930 175.900 0.195 0.000 1.122 1212 Y CA 1.603 59.781 58.100 0.129 0.000 1.128 1212 Y CB -0.269 38.244 38.460 0.088 0.000 1.005 1212 Y HN 0.165 nan 8.280 nan 0.000 0.509 1213 L N 0.084 121.517 121.223 0.350 0.000 2.349 1213 L HA -0.247 4.093 4.340 -0.000 0.000 0.220 1213 L C 2.023 179.066 176.870 0.287 0.000 1.130 1213 L CA 0.997 56.009 54.840 0.286 0.000 0.791 1213 L CB -0.474 41.735 42.059 0.250 0.000 0.918 1213 L HN 0.394 nan 8.230 nan 0.000 0.444 1214 L N -1.032 120.287 121.223 0.160 0.000 2.189 1214 L HA -0.011 4.329 4.340 -0.000 0.000 0.199 1214 L C 1.783 178.633 176.870 -0.033 0.000 1.074 1214 L CA 0.694 55.582 54.840 0.081 0.000 0.783 1214 L CB -0.317 41.772 42.059 0.051 0.000 0.955 1214 L HN 0.284 nan 8.230 nan 0.000 0.460 1215 N N 0.145 118.807 118.700 -0.063 0.000 2.398 1215 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 1215 N C 1.653 177.010 175.510 -0.255 0.000 1.122 1215 N CA 0.366 53.324 53.050 -0.153 0.000 0.866 1215 N CB 0.083 38.520 38.487 -0.084 0.000 0.970 1215 N HN 0.559 nan 8.380 nan 0.000 0.462 1216 W N 2.521 123.585 121.300 -0.393 0.000 2.308 1216 W HA -0.167 4.493 4.660 0.000 0.000 0.301 1216 W C 1.060 177.418 176.519 -0.269 0.000 1.220 1216 W CA 0.565 57.603 57.345 -0.511 0.000 1.240 1216 W CB -0.799 28.214 29.460 -0.745 0.000 1.142 1216 W HN -0.027 nan 8.180 nan 0.000 0.521 1217 K N 0.645 120.312 120.400 -1.222 0.000 2.032 1217 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 1217 K C 2.153 178.482 176.600 -0.452 0.000 1.048 1217 K CA 1.747 57.403 56.287 -1.050 0.000 0.927 1217 K CB -0.275 31.592 32.500 -1.054 0.000 0.712 1217 K HN -0.075 nan 8.250 nan 0.000 0.441 1218 K N 1.037 121.228 120.400 -0.349 0.000 2.211 1218 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 1218 K C 2.080 178.599 176.600 -0.135 0.000 1.050 1218 K CA 0.805 56.972 56.287 -0.200 0.000 0.945 1218 K CB -0.169 32.235 32.500 -0.160 0.000 0.732 1218 K HN 0.207 nan 8.250 nan 0.000 0.451 1219 L N 0.416 121.562 121.223 -0.129 0.000 2.093 1219 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 1219 L C 2.093 178.949 176.870 -0.023 0.000 1.085 1219 L CA 0.764 55.568 54.840 -0.060 0.000 0.755 1219 L CB -0.302 41.735 42.059 -0.037 0.000 0.904 1219 L HN 0.065 nan 8.230 nan 0.000 0.435 1220 I N -1.237 119.324 120.570 -0.015 0.000 2.494 1220 I HA -0.053 4.117 4.170 -0.000 0.000 0.250 1220 I C 0.991 177.098 176.117 -0.017 0.000 1.112 1220 I CA 0.898 62.210 61.300 0.020 0.000 1.438 1220 I CB -0.439 37.611 38.000 0.082 0.000 1.111 1220 I HN 0.251 nan 8.210 nan 0.000 0.431 1221 Q N 2.057 121.820 119.800 -0.061 0.000 2.706 1221 Q HA 0.240 4.580 4.340 -0.000 0.000 0.250 1221 Q C -1.627 174.329 176.000 -0.074 0.000 1.120 1221 Q CA -1.662 54.103 55.803 -0.064 0.000 0.972 1221 Q CB 1.249 29.936 28.738 -0.083 0.000 1.173 1221 Q HN 0.261 nan 8.270 nan 0.000 0.522 1222 P HA -0.118 nan 4.420 nan 0.000 0.218 1222 P C -0.048 177.224 177.300 -0.048 0.000 1.149 1222 P CA 0.886 63.954 63.100 -0.053 0.000 0.817 1222 P CB 0.733 32.409 31.700 -0.040 0.000 0.785 1223 R N -0.417 120.058 120.500 -0.043 0.000 2.628 1223 R HA 0.426 4.766 4.340 -0.000 0.000 0.288 1223 R C -0.379 175.896 176.300 -0.043 0.000 0.980 1223 R CA -0.397 55.678 56.100 -0.041 0.000 0.891 1223 R CB 1.832 32.111 30.300 -0.034 0.000 1.188 1223 R HN -0.072 nan 8.270 nan 0.000 0.450 1224 T N -0.663 113.865 114.554 -0.044 0.000 3.053 1224 T HA 0.371 4.721 4.350 -0.000 0.000 0.363 1224 T C 0.585 175.259 174.700 -0.044 0.000 1.239 1224 T CA -0.832 61.243 62.100 -0.040 0.000 1.071 1224 T CB 1.164 70.009 68.868 -0.038 0.000 1.089 1224 T HN 0.659 nan 8.240 nan 0.000 0.527 1225 G N 1.990 110.761 108.800 -0.047 0.000 2.414 1225 G HA2 0.422 4.382 3.960 -0.000 0.000 0.236 1225 G HA3 0.422 4.382 3.960 -0.000 0.000 0.236 1225 G C 0.122 174.963 174.900 -0.097 0.000 1.293 1225 G CA -0.246 44.814 45.100 -0.067 0.000 0.869 1225 G HN 1.651 nan 8.290 nan 0.000 0.556 1226 S N 0.401 115.992 115.700 -0.180 0.000 2.465 1226 S HA 0.148 4.618 4.470 -0.000 0.000 0.186 1226 S C -1.422 172.805 174.600 -0.622 0.000 0.839 1226 S CA -0.956 57.000 58.200 -0.407 0.000 1.037 1226 S CB 0.809 63.856 63.200 -0.255 0.000 1.407 1226 S HN 0.400 nan 8.310 nan 0.000 0.396 1227 D N 2.805 122.927 120.400 -0.465 0.000 2.500 1227 D HA 0.338 4.978 4.640 -0.000 0.000 0.219 1227 D C 0.857 176.992 176.300 -0.276 0.000 1.137 1227 D CA -0.401 53.416 54.000 -0.305 0.000 0.946 1227 D CB 0.311 41.025 40.800 -0.144 0.000 1.022 1227 D HN 0.557 nan 8.370 nan 0.000 0.518 1228 H N 1.133 120.196 119.070 -0.012 0.000 2.582 1228 H HA 0.147 4.703 4.556 -0.000 0.000 0.269 1228 H C 1.522 176.844 175.328 -0.010 0.000 0.962 1228 H CA 0.475 56.517 56.048 -0.011 0.000 1.230 1228 H CB 0.335 30.090 29.762 -0.012 0.000 1.445 1228 H HN 0.351 nan 8.280 nan 0.000 0.528 1229 M N 0.622 120.264 119.600 0.071 0.000 2.134 1229 M HA 0.009 4.489 4.480 -0.000 0.000 0.262 1229 M C 0.771 177.081 176.300 0.017 0.000 1.076 1229 M CA 0.617 55.940 55.300 0.039 0.000 1.143 1229 M CB 0.186 32.798 32.600 0.020 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.550 121.462 119.914 -0.003 0.000 2.686 1230 V HA 0.316 4.436 4.120 -0.000 0.000 0.295 1230 V C 0.256 176.348 176.094 -0.003 0.000 1.055 1230 V CA -0.283 62.013 62.300 -0.008 0.000 1.050 1230 V CB 0.682 32.493 31.823 -0.020 0.000 0.984 1230 V HN 0.611 nan 8.190 nan 0.000 0.482 1231 S N 0.000 115.700 115.700 -0.000 0.000 2.498 1231 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1231 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.011 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517